ChemSpider 2D Image | GSK2981278 | C25H35NO5S

GSK2981278

  • Molecular FormulaC25H35NO5S
  • Average mass461.614 Da
  • Monoisotopic mass461.223602 Da
  • ChemSpider ID39625826

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1474110-21-8 [RN]
Benzenesulfonamide, N-(4-ethylphenyl)-3-(hydroxymethyl)-N-(2-methylpropyl)-4-[(tetrahydro-2H-pyran-4-yl)methoxy]- [ACD/Index Name]
Gsk-2981278
GSK2981278
N-(4-Ethylphenyl)-3-(hydroxymethyl)-N-isobutyl-4-(tetrahydro-2H-pyran-4-ylmethoxy)benzenesulfonamide [ACD/IUPAC Name]
N-(4-Éthylphényl)-3-(hydroxyméthyl)-N-isobutyl-4-(tétrahydro-2H-pyran-4-ylméthoxy)benzènesulfonamide [French] [ACD/IUPAC Name]
N-(4-Ethylphenyl)-3-(hydroxymethyl)-N-isobutyl-4-(tetrahydro-2H-pyran-4-ylmethoxy)benzolsulfonamid [German] [ACD/IUPAC Name]
(1-(2-(Dimethylamino)pyridin-4-yl)-1H-pyrazol-4-yl)methanol
BS-15442
MFCD29059455
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L49V5G013I [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Others MedChem Express HY-19770
      ROR MedChem Express HY-19770
      ROR? modulator 1 is a retinoid-related orphan receptor gamma (RORy) modulator, extracted from patent WO/2015061515 A1, example 124. MedChem Express HY-19770

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 622.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.3±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 781.69
ACD/KOC (pH 5.5): 4096.71
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 781.69
ACD/KOC (pH 7.4): 4096.71
Polar Surface Area: 84 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 391.1±3.0 cm3

Click to predict properties on the Chemicalize site


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